Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CPA1 | P15085 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL513548 | 0.89 | SMN1; SMN2 (0.44) | SMN1; SMN2HIF1ATAAR1SLC6A2CPA1 | |
| SCHEMBL7795287 | 0.75 | SMN1; SMN2 (0.49) | SMN1; SMN2HIF1ATAAR1SLC6A2CPA1 | |
| SCHEMBL28243868 | 0.71 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ATAAR1SLC6A2NPC1 | |
| SCHEMBL4362988 | 0.71 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ATAAR1SLC6A2NPC1 | |
| SCHEMBL14935688 | 0.71 | SMN1; SMN2 (0.56) | SMN1; SMN2HIF1ATAAR1SLC6A2NPC1 | |
| Acetic Acid SCHEMBL28784357 | 0.71 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1ATAAR1SLC6A2CYP1A2 | |
| Acetic Acid SCHEMBL8540615 | 0.71 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1ATAAR1SLC6A2CYP1A2 | |
| Acetic Acid SCHEMBL6056055 | 0.71 | SMN1; SMN2 (0.55) | SMN1; SMN2HIF1ATAAR1SLC6A2CYP1A2 | |
| SCHEMBL10831201 | 0.71 | SLC6A2 (0.55) | SMN1; SMN2HIF1ATAAR1SLC6A2MEN1 | |
| SCHEMBL7797910 | 0.70 | TRPA1 (0.46) | SMN1; SMN2HIF1ATAAR1SLC6A2NPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7166295-B1 | Methods of treatment and diagnostic visualization, particularly in cancer | STRAHILEVITZ MEIR | 2007-01-23 | — | — | US | disclosed |
| EP-0827513-B1 | REAGENTS FOR TREATMENT AND DIAGNOSTIC VISUALISATION, PARTICULARLY IN CANCER | STRAHILEVITZ MEIR (US) | 2006-08-09 | — | — | EP | disclosed |
| EP-0827513-A4 | METHODS OF TREATMENT AND DIAGNOSTIC VISUALISATION, PARTICULARLY IN CANCER | STRAHILEVITZ MEIR (US) | 2000-10-18 | — | — | EP | disclosed |
| EP-0827513-A1 | METHODS OF TREATMENT AND DIAGNOSTIC VISUALISATION, PARTICULARLY IN CANCER | Strahilevitz, Meir (US) | 1998-03-11 | — | — | EP | disclosed |
| WO-1996037516-A1 | METHODS OF TREATMENT AND DIAGNOSTIC VISUALISATION, PARTICULARLY IN CANCER | STRAHILEVITZ MEIR (US) | 1996-11-28 | — | — | WO | disclosed |